1-[5-[3-(4-cyano-3-methoxy-phenyl)-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]-1,3-benzothiazol-2-yl]urea

Systemtic Name: 1-[5-[3-(4-cyano-3-methoxy-phenyl)-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]-1,3-benzothiazol-2-yl]urea Openeye Name: [5-[3-(4-cyano-3-methoxy-phenyl)-5,5-dimethyl-4-oxo-2-thioxo-imidazolidin-1-yl]-1,3-benzothiazol-2-yl]urea CAS Name: [5-[3-(4-cyano-3-methoxyphenyl)-5,5-dimethyl-4-oxo-2-sulfanylidene-1-imidazolidinyl]-1,3-benzothiazol-2-yl]urea IUPAC Name: [5-[3-(4-cyano-3-methoxyphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-1,3-benzothiazol-2-yl]urea Traditional Name: [5-[3-(4-cyano-3-methoxy-phenyl)-4-keto-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]-1,3-benzothiazol-2-yl]urea Formula: C21H18N6O3S2 MolecularWeight: 466.53602

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1C2=CC3=C(C=C2)SC(=N3)NC(=O)N)C4=CC(=C(C=C4)C#N)OC)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1C2=CC3=C(C=C2)SC(=N3)NC(=O)N)C4=CC(=C(C=C4)C#N)OC)C

InChI

InChI=1S/C21H18N6O3S2/c1-21(2)17(28)26(12-5-4-11(10-22)15(9-12)30-3)20(31)27(21)13-6-7-16-14(8-13)24-19(32-16)25-18(23)29/h4-9H,1-3H3,(H3,23,24,25,29)